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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I3Mu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2399.81979993; Eh
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I61aMu, MantingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2399.81939553; Eh
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I51aMu, MantingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2399.79124029; Eh
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I6Mu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2297.32336831; Eh
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